# Size of variable arrays: sizeAlgebraic = 13 sizeStates = 6 sizeConstants = 21 from math import * from numpy import * def createLegends(): legend_states = [""] * sizeStates legend_rates = [""] * sizeStates legend_algebraic = [""] * sizeAlgebraic legend_voi = "" legend_constants = [""] * sizeConstants legend_voi = "t in component environment (second)" legend_constants[0] = "C_m in component environment (fF)" legend_algebraic[7] = "v_RyR in component RyR (fmol_per_sec)" legend_constants[1] = "F in component constants (C_per_mol)" legend_states[0] = "q_Ca_SR in component environment (fmol)" legend_states[1] = "q_Ca_D in component environment (fmol)" legend_states[2] = "q_C_RyR in component environment (fmol)" legend_states[3] = "q_CI_RyR in component environment (fmol)" legend_states[4] = "q_I_RyR in component environment (fmol)" legend_states[5] = "q_O_RyR in component environment (fmol)" legend_algebraic[12] = "v_RyRgate_Ca_D in component RyR (fmol_per_sec)" legend_constants[2] = "kappa_RyR in component RyR_parameters (fmol_per_sec)" legend_constants[3] = "kappa_OC in component RyR_parameters (fmol_per_sec)" legend_constants[4] = "kappa_CCI in component RyR_parameters (fmol_per_sec)" legend_constants[5] = "kappa_CII in component RyR_parameters (fmol_per_sec)" legend_constants[6] = "kappa_IO in component RyR_parameters (fmol_per_sec)" legend_constants[7] = "K_Ca_SR in component RyR_parameters (per_fmol)" legend_constants[8] = "K_Ca_D in component RyR_parameters (per_fmol)" legend_constants[9] = "K_C_RyR in component RyR_parameters (per_fmol)" legend_constants[10] = "K_CI_RyR in component RyR_parameters (per_fmol)" legend_constants[11] = "K_I_RyR in component RyR_parameters (per_fmol)" legend_constants[12] = "K_O_RyR in component RyR_parameters (per_fmol)" legend_constants[13] = "R in component constants (J_per_K_per_mol)" legend_constants[14] = "T in component constants (kelvin)" legend_constants[15] = "nCa_1 in component RyR (dimensionless)" legend_constants[16] = "nCa_2 in component RyR (dimensionless)" legend_algebraic[0] = "mu_Ca_SR in component RyR (J_per_mol)" legend_algebraic[2] = "mu_Ca_D in component RyR (J_per_mol)" legend_algebraic[1] = "q_Ca_gate_complexes in component RyR (fmol)" legend_algebraic[3] = "mu_C_RyR in component RyR (J_per_mol)" legend_algebraic[4] = "mu_CI_RyR in component RyR (J_per_mol)" legend_algebraic[5] = "mu_I_RyR in component RyR (J_per_mol)" legend_algebraic[6] = "mu_O_RyR in component RyR (J_per_mol)" legend_algebraic[8] = "v_OC in component RyR (fmol_per_sec)" legend_algebraic[9] = "v_CCI in component RyR (fmol_per_sec)" legend_algebraic[10] = "v_CII in component RyR (fmol_per_sec)" legend_algebraic[11] = "v_IO in component RyR (fmol_per_sec)" legend_constants[17] = "zNa in component ion_valences (dimensionless)" legend_constants[18] = "zCl in component ion_valences (dimensionless)" legend_constants[19] = "zK in component ion_valences (dimensionless)" legend_constants[20] = "zCa in component ion_valences (dimensionless)" legend_rates[0] = "d/dt q_Ca_SR in component environment (fmol)" legend_rates[1] = "d/dt q_Ca_D in component environment (fmol)" legend_rates[5] = "d/dt q_O_RyR in component environment (fmol)" legend_rates[2] = "d/dt q_C_RyR in component environment (fmol)" legend_rates[3] = "d/dt q_CI_RyR in component environment (fmol)" legend_rates[4] = "d/dt q_I_RyR in component environment (fmol)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; constants[0] = 1.381e5 constants[1] = 96485 states[0] = 6.41e-1 states[1] = 3.68876E-07 states[2] = 2.9682830E-06 states[3] = 2.9682830E-06 states[4] = 2.9682830E-06 states[5] = 2.9682830E-06 constants[2] = 498020 constants[3] = 5.01701 constants[4] = 6.61466 constants[5] = 5.43605 constants[6] = 0.453004 constants[7] = 102.047 constants[8] = 66.2643 constants[9] = 0.819033 constants[10] = 0.755897 constants[11] = 11.0374 constants[12] = 11.9593 constants[13] = 8.31 constants[14] = 310 constants[15] = 1 constants[16] = 2 constants[17] = 1 constants[18] = -1 constants[19] = 1 constants[20] = 2 return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[0] = constants[13]*constants[14]*log(constants[7]*states[0]) algebraic[2] = constants[13]*constants[14]*log(constants[8]*states[1]) algebraic[6] = constants[13]*constants[14]*log(constants[12]*states[5]) algebraic[7] = constants[2]*exp(algebraic[6]/(constants[13]*constants[14]))*(exp(algebraic[0]/(constants[13]*constants[14]))-exp(algebraic[2]/(constants[13]*constants[14]))) rates[0] = -algebraic[7] algebraic[3] = constants[13]*constants[14]*log(constants[9]*states[2]) algebraic[8] = constants[3]*(exp(algebraic[6]/(constants[13]*constants[14]))-exp((algebraic[3]+constants[16]*algebraic[2])/(constants[13]*constants[14]))) algebraic[4] = constants[13]*constants[14]*log(constants[10]*states[3]) algebraic[9] = constants[4]*(exp((algebraic[3]+constants[15]*algebraic[2])/(constants[13]*constants[14]))-exp(algebraic[4]/(constants[13]*constants[14]))) rates[2] = algebraic[8]-algebraic[9] algebraic[5] = constants[13]*constants[14]*log(constants[11]*states[4]) algebraic[10] = constants[5]*(exp((algebraic[4]+constants[16]*algebraic[2])/(constants[13]*constants[14]))-exp(algebraic[5]/(constants[13]*constants[14]))) rates[3] = algebraic[9]-algebraic[10] algebraic[11] = constants[6]*(exp(algebraic[5]/(constants[13]*constants[14]))-exp((algebraic[6]+constants[15]*algebraic[2])/(constants[13]*constants[14]))) rates[5] = algebraic[11]-algebraic[8] rates[4] = algebraic[10]-algebraic[11] algebraic[12] = ((constants[16]*algebraic[8]-constants[15]*algebraic[9])-constants[16]*algebraic[10])+constants[15]*algebraic[11] rates[1] = algebraic[7]+algebraic[12] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = constants[13]*constants[14]*log(constants[7]*states[0]) algebraic[2] = constants[13]*constants[14]*log(constants[8]*states[1]) algebraic[6] = constants[13]*constants[14]*log(constants[12]*states[5]) algebraic[7] = constants[2]*exp(algebraic[6]/(constants[13]*constants[14]))*(exp(algebraic[0]/(constants[13]*constants[14]))-exp(algebraic[2]/(constants[13]*constants[14]))) algebraic[3] = constants[13]*constants[14]*log(constants[9]*states[2]) algebraic[8] = constants[3]*(exp(algebraic[6]/(constants[13]*constants[14]))-exp((algebraic[3]+constants[16]*algebraic[2])/(constants[13]*constants[14]))) algebraic[4] = constants[13]*constants[14]*log(constants[10]*states[3]) algebraic[9] = constants[4]*(exp((algebraic[3]+constants[15]*algebraic[2])/(constants[13]*constants[14]))-exp(algebraic[4]/(constants[13]*constants[14]))) algebraic[5] = constants[13]*constants[14]*log(constants[11]*states[4]) algebraic[10] = constants[5]*(exp((algebraic[4]+constants[16]*algebraic[2])/(constants[13]*constants[14]))-exp(algebraic[5]/(constants[13]*constants[14]))) algebraic[11] = constants[6]*(exp(algebraic[5]/(constants[13]*constants[14]))-exp((algebraic[6]+constants[15]*algebraic[2])/(constants[13]*constants[14]))) algebraic[12] = ((constants[16]*algebraic[8]-constants[15]*algebraic[9])-constants[16]*algebraic[10])+constants[15]*algebraic[11] algebraic[1] = constants[16]*states[5]+constants[15]*states[3]+(constants[15]+constants[16])*states[4] return algebraic def solve_model(): """Solve model with ODE solver""" from scipy.integrate import ode # Initialise constants and state variables (init_states, constants) = initConsts() # Set timespan to solve over voi = linspace(0, 10, 500) # Construct ODE object to solve r = ode(computeRates) r.set_integrator('vode', method='bdf', atol=1e-06, rtol=1e-06, max_step=1) r.set_initial_value(init_states, voi[0]) r.set_f_params(constants) # Solve model states = array([[0.0] * len(voi)] * sizeStates) states[:,0] = init_states for (i,t) in enumerate(voi[1:]): if r.successful(): r.integrate(t) states[:,i+1] = r.y else: break # Compute algebraic variables algebraic = computeAlgebraic(constants, states, voi) return (voi, states, algebraic) def plot_model(voi, states, algebraic): """Plot variables against variable of integration""" import pylab (legend_states, legend_algebraic, legend_voi, legend_constants) = createLegends() pylab.figure(1) pylab.plot(voi,vstack((states,algebraic)).T) pylab.xlabel(legend_voi) pylab.legend(legend_states + legend_algebraic, loc='best') pylab.show() if __name__ == "__main__": (voi, states, algebraic) = solve_model() plot_model(voi, states, algebraic)